2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide

C20H21N3O2S — CID 113011741

IUPAC2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1
InChIInChI=1S/C20H21N3O2S/c1-15-6-5-8-17(12-15)13-21-20-11-10-18(14-22-20)23-26(24,25)19-9-4-3-7-16(19)2/h3-12,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyUGKDJFGKWKTABL-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide

2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide (PubChem CID 113011741) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
PubChem CID113011741
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1
InChIInChI=1S/C20H21N3O2S/c1-15-6-5-8-17(12-15)13-21-20-11-10-18(14-22-20)23-26(24,25)19-9-4-3-7-16(19)2/h3-12,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyUGKDJFGKWKTABL-UHFFFAOYSA-N
XLogP4.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011734
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide (CID 113011741) is 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide is Cc1cccc(CNc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1.
What is the InChIKey of 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is UGKDJFGKWKTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-6-5-8-17(12-15)13-21-20-11-10-18(14-22-20)23-26(24,25)19-9-4-3-7-16(19)2/h3-12,14,23H,13H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).